In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.54 | 6.76 | -29.43 | 2 | 2 | 1 | 16 | 211.373 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 5.73 | -37.4 | 2 | 2 | 1 | 20 | 211.373 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 7.95 | -100.43 | 3 | 2 | 2 | 21 | 212.381 | 5 | ↓ |